Vitas-M small molecule compound
4-[2-amino-6-(3,4-dimethoxyphenyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoic acid
Catalog ID
STK335451
SMILES COc1cc(ccc1OC)C1CC(=O)C2=C(C1)Nc1n(C2c2ccc(cc2)C(=O)O)nc(n1)N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H23N5O5 MW 461.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N5O5/c1-33-18-8-7-14(11-19(18)34-2)15-9-16-20(17(30)10-15)21(29-24(26-16)27-23(25)28-29)12-3-5-13(6-4-12)22(31)32/h3-8,11,15,21H,9-10H2,1-2H3,(H,31,32)(H3,25,26,27,28)InChIKey
RVTOMYCGSNEMRS-UHFFFAOYSA-NSynonyms
4(2amino6(34dimethoxyphenyl)8oxo456789hexahydro(124)triazolo(51b)quinazolin9yl)benzoicacid
4(2amino6(34dimethoxyphenyl)8oxo5679tetrahydro1H(124)triazolo(51b)quinazolin9yl)benzoicacid
COC1=C(C=C(C=C1)C2CC3=C(C(N4C(=N3)N=C(N4)N)C5=CC=C(C=C5)C(=O)O)C(=O)C2)OC
InChI=1SC24H23N5O5c133188714(1119(18)342)1591620(17(30)1015)21(2924(2616)2723(25)2829)123513(6412)22(31)32h38111521H910H212H3(H3132)(H325262728)
MFCD09964010
ZINC000018199103
ZINC000018199109
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